1,1,2,2-tetrafluoro-3-methoxypropane

• ChemBase ID: 8074
• Molecular Formular: C4H6F4O
• Molecular Mass: 146.0834528
• Monoisotopic Mass: 146.03547769
• SMILES: C(OC)C(F)(F)C(F)F
• Canonical SMILES: COCC(C(F)F)(F)F
• InChI: InChI=1S/C4H6F4O/c1-9-2-4(7,8)3(5)6/h3H,2H2,1H3
• InChIKey: CTXZHYNQHNBVKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-3-methoxypropane
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-3-methoxypropane
• Synonyms: 1,1,2,2-Tetrafluoro-3-methoxypropane; 3-Methoxy-1,1,2,2-tetrafluoropropane; Methyl 2,2,3,3-tetrafluoropropyl ether

Database IDs

• CAS Number: 60598-17-6
• MDL Number: MFCD01075284
• PubChem SID: 160971381
• PubChem CID: 2783340

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2915279
• LogD (pH = 7.4): 1.2915279
• Log P: 1.2915279
• Molar Refractivity: 22.2409 cm^3
• Polarizability: 8.507283 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64-68°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%